Name: Name:2-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}pyridine
Brand: Angene
SKU: AG01C0KT
Rating: 90 (10 reviews)

2-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}pyridine

CAS No.:

1210753-31-3

Catalog Number:

AG01C0KT

Molecular Formula:

C15H14N4S

Molecular Weight:

282.3635

Catalog Number:

AG01C0KT

Chemical Name:

2-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}pyridine

CAS Number:

1210753-31-3

Molecular Formula:

C15H14N4S

Molecular Weight:

282.3635

MDL Number:

MFCD13387705

IUPAC Name:

2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridine

InChI:

InChI=1S/C15H14N4S/c1-2-7-14(8-3-1)19-12-17-18-15(19)20-11-9-13-6-4-5-10-16-13/h1-8,10,12H,9,11H2

InChI Key:

KOJFYYIYKVCOQM-UHFFFAOYSA-N

SMILES:

c1ccc(nc1)CCSc1nncn1c1ccccc1

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.365g/mol

Monoisotopic Mass:

282.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9